data_5238 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N chemical shift assignments for the heparin-binding domain of vascular endothelial growth factor ; _BMRB_accession_number 5238 _BMRB_flat_file_name bmr5238.str _Entry_type original _Submission_date 2001-12-18 _Accession_date 2001-12-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fairbrother Wayne J. . 2 Champe Mark A. . 3 Christinger Hans W. . 4 Keyt Bruce A. . 5 Starovasnik Melissa A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 333 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-08 original BMRB . stop_ _Original_release_date 2001-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the heparin-binding domain of vascular endothelial growth factor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9634701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fairbrother Wayne J. . 2 Champe Mark A. . 3 Christinger Hans W. . 4 Keyt Bruce A. . 5 Starovasnik Melissa A. . stop_ _Journal_abbreviation Structure _Journal_volume 6 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 637 _Page_last 649 _Year 1998 _Details . save_ ################################## # Molecular system description # ################################## save_system_VEGF-165 _Saveframe_category molecular_system _Mol_system_name 'heparin-binding domain of vascular endothelial growth factor-165' _Abbreviation_common VEGF-165 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VEGF heparin-binding domain' $VEGF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VEGF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'vascular endothelial growth factor' _Abbreviation_common VEGF _Molecular_mass 6477 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; ARQENPCGPCSERRKHLFVQ DPQTCKCSCKNTDSRCKARQ LELNERTCRCDKPRR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 GLN 4 GLU 5 ASN 6 PRO 7 CYS 8 GLY 9 PRO 10 CYS 11 SER 12 GLU 13 ARG 14 ARG 15 LYS 16 HIS 17 LEU 18 PHE 19 VAL 20 GLN 21 ASP 22 PRO 23 GLN 24 THR 25 CYS 26 LYS 27 CYS 28 SER 29 CYS 30 LYS 31 ASN 32 THR 33 ASP 34 SER 35 ARG 36 CYS 37 LYS 38 ALA 39 ARG 40 GLN 41 LEU 42 GLU 43 LEU 44 ASN 45 GLU 46 ARG 47 THR 48 CYS 49 ARG 50 CYS 51 ASP 52 LYS 53 PRO 54 ARG 55 ARG stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1KMX 'Heparin-Binding Domain From Vascular Endothelial Growth Factor' 98.18 55 100.00 100.00 2.59e-22 PDB 1VGH 'Heparin-Binding Domain From Vascular Endothelial Growth Factor, Nmr, 20 Structures' 98.18 55 100.00 100.00 2.59e-22 PDB 2VGH 'Heparin-Binding Domain From Vascular Endothelial Growth Factor, Nmr, Minimized Average Structure' 98.18 55 100.00 100.00 2.59e-22 DBJ BAA78418 'vascular endothelial growth factor isoform VEGF165 [Homo sapiens]' 100.00 191 100.00 100.00 6.26e-24 DBJ BAB20890 'vascular endothelial growth factor 164 [Equus caballus]' 100.00 190 100.00 100.00 5.44e-24 DBJ BAB68520 'vascular endothelial growth factor [Felis catus]' 96.36 189 98.11 100.00 2.25e-22 EMBL CAA09179 'VEGF183 protein [Homo sapiens]' 90.91 209 100.00 100.00 4.17e-21 EMBL CAA44447 'vascular endothelial growth factor [Homo sapiens]' 100.00 191 100.00 100.00 6.26e-24 EMBL CAA57143 'unnamed protein product [Sus scrofa]' 100.00 190 100.00 100.00 7.59e-24 EMBL CAB82426 'vascular endothelial growth factor 188 [Canis familiaris]' 90.91 214 100.00 100.00 2.77e-21 EMBL CAC19512 'vascular endothelial growth factor [Homo sapiens]' 92.73 232 98.04 100.00 1.85e-21 GenBank AAA30502 'vascular endothelial growth factor (VEGF) precursor' 100.00 190 100.00 100.00 7.04e-24 GenBank AAA30804 'vascular endothelial growth factor' 100.00 164 100.00 100.00 2.05e-23 GenBank AAA35789 'vascular endothelial growth factor' 100.00 191 100.00 100.00 6.26e-24 GenBank AAA36804 'vascular endothelial growth factor' 90.91 215 100.00 100.00 2.19e-21 GenBank AAA36807 'vascular permeability factor precursor' 90.91 215 100.00 100.00 2.19e-21 PRF 2105202A 'vascular endothelial growth factor' 100.00 190 100.00 100.00 7.59e-24 REF NP_001003175 'vascular endothelial growth factor A isoform 1 precursor [Canis lupus familiaris]' 90.91 214 100.00 100.00 2.77e-21 REF NP_001009854 'vascular endothelial growth factor A [Felis catus]' 96.36 189 98.11 100.00 2.25e-22 REF NP_001020537 'vascular endothelial growth factor A isoform a precursor [Homo sapiens]' 92.73 412 98.04 100.00 3.93e-22 REF NP_001020538 'vascular endothelial growth factor A isoform c precursor [Homo sapiens]' 90.91 389 100.00 100.00 7.53e-22 REF NP_001020539 'vascular endothelial growth factor A isoform d precursor [Homo sapiens]' 100.00 371 100.00 100.00 9.91e-25 SWISS-PROT P15691 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' 100.00 190 100.00 100.00 7.04e-24 SWISS-PROT P15692 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' 92.73 232 98.04 100.00 1.85e-21 SWISS-PROT P26617 'Vascular endothelial growth factor A (VEGF-A) (Vascular permeability factor) (VPF)' 100.00 164 98.18 100.00 3.86e-23 SWISS-PROT P49151 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' 100.00 190 100.00 100.00 7.59e-24 SWISS-PROT Q9GKR0 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' 100.00 190 100.00 100.00 5.44e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VEGF Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $VEGF 'recombinant technology' 'E. coli' Escherichia coli SB558 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEGF 1.0 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEGF 2.0 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task analysis processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2QF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2QF-COSY _Sample_label . save_ save_2Q_2 _Saveframe_category NMR_applied_experiment _Experiment_name 2Q _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-15N_ROESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N ROESY-HSQC' _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 2QF-COSY 2Q TOCSY NOESY '1H-15N HSQC' '1H-15N TOCSY-HSQC' '1H-15N NOESY-HSQC' '1H-15N ROESY-HSQC' HNHA HNHB stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'VEGF heparin-binding domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA HA H 4.13 0.05 1 2 . 1 ALA HB H 1.54 0.05 1 3 . 2 ARG H H 8.64 0.05 1 4 . 2 ARG HA H 4.32 0.05 1 5 . 2 ARG HB2 H 1.79 0.05 1 6 . 2 ARG HB3 H 1.79 0.05 1 7 . 2 ARG HG2 H 1.60 0.05 1 8 . 2 ARG HG3 H 1.60 0.05 1 9 . 2 ARG HD2 H 3.20 0.05 1 10 . 2 ARG HD3 H 3.20 0.05 1 11 . 2 ARG N N 120.9 0.20 1 12 . 3 GLN H H 8.58 0.05 1 13 . 3 GLN HA H 4.32 0.05 1 14 . 3 GLN HB2 H 1.96 0.05 2 15 . 3 GLN HB3 H 2.07 0.05 2 16 . 3 GLN HG2 H 2.36 0.05 1 17 . 3 GLN HG3 H 2.36 0.05 1 18 . 3 GLN N N 122.8 0.20 1 19 . 4 GLU H H 8.52 0.05 1 20 . 4 GLU HA H 4.24 0.05 1 21 . 4 GLU HB2 H 1.88 0.05 2 22 . 4 GLU HB3 H 2.02 0.05 2 23 . 4 GLU HG2 H 2.20 0.05 2 24 . 4 GLU HG3 H 2.25 0.05 2 25 . 4 GLU N N 122.9 0.20 1 26 . 5 ASN H H 8.46 0.05 1 27 . 5 ASN HA H 4.97 0.05 1 28 . 5 ASN HB2 H 2.66 0.05 2 29 . 5 ASN HB3 H 2.81 0.05 2 30 . 5 ASN HD22 H 6.89 0.05 1 31 . 5 ASN HD21 H 7.56 0.05 1 32 . 5 ASN N N 120.1 0.20 1 33 . 5 ASN ND2 N 113.1 0.05 1 34 . 6 PRO HA H 4.46 0.05 1 35 . 6 PRO HB2 H 2.01 0.05 2 36 . 6 PRO HB3 H 2.22 0.05 2 37 . 6 PRO HG2 H 2.02 0.05 1 38 . 6 PRO HG3 H 2.02 0.05 1 39 . 6 PRO HD2 H 3.74 0.05 1 40 . 6 PRO HD3 H 3.74 0.05 1 41 . 7 CYS H H 8.37 0.05 1 42 . 7 CYS HA H 4.71 0.05 1 43 . 7 CYS HB2 H 2.59 0.05 1 44 . 7 CYS HB3 H 3.15 0.05 1 45 . 7 CYS N N 118.7 0.20 1 46 . 8 GLY H H 8.76 0.05 1 47 . 8 GLY HA2 H 3.71 0.05 2 48 . 8 GLY HA3 H 4.33 0.05 2 49 . 8 GLY N N 111.6 0.20 1 50 . 9 PRO HA H 4.46 0.05 1 51 . 9 PRO HB2 H 1.79 0.05 2 52 . 9 PRO HB3 H 2.21 0.05 2 53 . 9 PRO HG2 H 1.95 0.05 2 54 . 9 PRO HG3 H 2.02 0.05 2 55 . 9 PRO HD2 H 3.55 0.05 2 56 . 9 PRO HD3 H 3.64 0.05 2 57 . 10 CYS H H 8.78 0.05 1 58 . 10 CYS HA H 4.31 0.05 1 59 . 10 CYS HB2 H 2.42 0.05 2 60 . 10 CYS HB3 H 2.48 0.05 2 61 . 10 CYS N N 118.8 0.20 1 62 . 11 SER H H 7.66 0.05 1 63 . 11 SER HA H 4.21 0.05 1 64 . 11 SER HB2 H 3.28 0.05 2 65 . 11 SER HB3 H 3.71 0.05 2 66 . 11 SER N N 112.0 0.20 1 67 . 12 GLU H H 8.52 0.05 1 68 . 12 GLU HA H 4.25 0.05 1 69 . 12 GLU HB2 H 1.90 0.05 2 70 . 12 GLU HB3 H 2.02 0.05 2 71 . 12 GLU HG2 H 2.25 0.05 1 72 . 12 GLU HG3 H 2.25 0.05 1 73 . 12 GLU N N 122.6 0.20 1 74 . 13 ARG H H 8.24 0.05 1 75 . 13 ARG HA H 4.41 0.05 1 76 . 13 ARG HB2 H 1.79 0.05 2 77 . 13 ARG HB3 H 1.90 0.05 2 78 . 13 ARG HG2 H 1.63 0.05 1 79 . 13 ARG HG3 H 1.63 0.05 1 80 . 13 ARG HD2 H 3.23 0.05 1 81 . 13 ARG HD3 H 3.23 0.05 1 82 . 13 ARG N N 117.7 0.20 1 83 . 14 ARG H H 8.36 0.05 1 84 . 14 ARG HA H 4.45 0.05 1 85 . 14 ARG HB2 H 1.84 0.05 1 86 . 14 ARG HB3 H 1.84 0.05 1 87 . 14 ARG HG2 H 1.60 0.05 1 88 . 14 ARG HG3 H 1.60 0.05 1 89 . 14 ARG HD2 H 3.20 0.05 2 90 . 14 ARG HD3 H 3.27 0.05 2 91 . 14 ARG N N 119.3 0.20 1 92 . 15 LYS H H 8.06 0.05 1 93 . 15 LYS HA H 3.99 0.05 1 94 . 15 LYS HB2 H 1.83 0.05 1 95 . 15 LYS HB3 H 1.83 0.05 1 96 . 15 LYS HG2 H 1.38 0.05 1 97 . 15 LYS HG3 H 1.38 0.05 1 98 . 15 LYS HD2 H 1.70 0.05 1 99 . 15 LYS HD3 H 1.70 0.05 1 100 . 15 LYS HE2 H 3.04 0.05 1 101 . 15 LYS HE3 H 3.04 0.05 1 102 . 15 LYS N N 118.8 0.20 1 103 . 16 HIS H H 8.42 0.05 1 104 . 16 HIS HA H 4.61 0.05 1 105 . 16 HIS HB2 H 3.16 0.05 2 106 . 16 HIS HB3 H 3.25 0.05 2 107 . 16 HIS HD2 H 7.14 0.05 1 108 . 16 HIS HE1 H 8.15 0.05 1 109 . 16 HIS N N 115.4 0.20 1 110 . 17 LEU H H 7.71 0.05 1 111 . 17 LEU HA H 4.14 0.05 1 112 . 17 LEU HB2 H 1.39 0.05 1 113 . 17 LEU HB3 H 1.08 0.05 1 114 . 17 LEU HG H 1.03 0.05 1 115 . 17 LEU HD1 H 0.68 0.05 2 116 . 17 LEU HD2 H 0.78 0.05 2 117 . 17 LEU N N 119.0 0.20 1 118 . 18 PHE H H 7.89 0.05 1 119 . 18 PHE HA H 5.28 0.05 1 120 . 18 PHE HB2 H 2.84 0.05 2 121 . 18 PHE HB3 H 3.04 0.05 2 122 . 18 PHE HD1 H 7.02 0.05 1 123 . 18 PHE HD2 H 7.02 0.05 1 124 . 18 PHE HE1 H 7.25 0.05 1 125 . 18 PHE HE2 H 7.25 0.05 1 126 . 18 PHE HZ H 7.35 0.05 1 127 . 18 PHE N N 117.5 0.20 1 128 . 19 VAL H H 9.20 0.05 1 129 . 19 VAL HA H 4.44 0.05 1 130 . 19 VAL HB H 1.98 0.05 1 131 . 19 VAL HG1 H 0.85 0.05 1 132 . 19 VAL HG2 H 0.85 0.05 1 133 . 19 VAL N N 118.1 0.20 1 134 . 20 GLN H H 8.65 0.05 1 135 . 20 GLN HA H 5.21 0.05 1 136 . 20 GLN HB2 H 2.01 0.05 1 137 . 20 GLN HB3 H 2.01 0.05 1 138 . 20 GLN HG2 H 1.77 0.05 2 139 . 20 GLN HG3 H 1.89 0.05 2 140 . 20 GLN HE22 H 7.82 0.05 1 141 . 20 GLN HE21 H 7.03 0.05 1 142 . 20 GLN N N 125.2 0.20 1 143 . 20 GLN NE2 N 114.3 0.05 1 144 . 21 ASP H H 8.38 0.05 1 145 . 21 ASP HA H 4.92 0.05 1 146 . 21 ASP HB2 H 2.60 0.05 1 147 . 21 ASP HB3 H 3.07 0.05 1 148 . 21 ASP N N 129.9 0.20 1 149 . 22 PRO HA H 4.43 0.05 1 150 . 22 PRO HB2 H 2.01 0.05 1 151 . 22 PRO HB3 H 2.01 0.05 1 152 . 22 PRO HG2 H 2.02 0.05 2 153 . 22 PRO HG3 H 2.12 0.05 2 154 . 22 PRO HD2 H 3.89 0.05 2 155 . 22 PRO HD3 H 4.08 0.05 2 156 . 23 GLN H H 8.46 0.05 1 157 . 23 GLN HA H 4.37 0.05 1 158 . 23 GLN HB2 H 2.17 0.05 2 159 . 23 GLN HB3 H 2.24 0.05 2 160 . 23 GLN HG2 H 2.34 0.05 2 161 . 23 GLN HG3 H 2.41 0.05 2 162 . 23 GLN N N 116.0 0.20 1 163 . 24 THR H H 7.87 0.05 1 164 . 24 THR HA H 4.36 0.05 1 165 . 24 THR HB H 4.42 0.05 1 166 . 24 THR HG2 H 1.21 0.05 1 167 . 24 THR N N 107.3 0.20 1 168 . 25 CYS H H 8.36 0.05 1 169 . 25 CYS HA H 4.44 0.05 1 170 . 25 CYS HB2 H 3.38 0.05 1 171 . 25 CYS HB3 H 3.38 0.05 1 172 . 25 CYS N N 113.4 0.20 1 173 . 26 LYS H H 8.05 0.05 1 174 . 26 LYS HA H 4.16 0.05 1 175 . 26 LYS HB2 H 1.78 0.05 1 176 . 26 LYS HB3 H 1.78 0.05 1 177 . 26 LYS HG2 H 1.37 0.05 2 178 . 26 LYS HG3 H 1.44 0.05 2 179 . 26 LYS HD2 H 1.70 0.05 1 180 . 26 LYS HD3 H 1.70 0.05 1 181 . 26 LYS HE2 H 3.01 0.05 1 182 . 26 LYS HE3 H 3.01 0.05 1 183 . 26 LYS N N 122.8 0.20 1 184 . 27 CYS H H 9.08 0.05 1 185 . 27 CYS HA H 5.49 0.05 1 186 . 27 CYS HB2 H 3.34 0.05 1 187 . 27 CYS HB3 H 2.67 0.05 1 188 . 27 CYS N N 125.8 0.20 1 189 . 28 SER H H 9.22 0.05 1 190 . 28 SER HA H 4.99 0.05 1 191 . 28 SER HB2 H 3.83 0.05 2 192 . 28 SER HB3 H 3.89 0.05 2 193 . 28 SER N N 118.0 0.20 1 194 . 29 CYS H H 9.08 0.05 1 195 . 29 CYS HA H 4.68 0.05 1 196 . 29 CYS HB2 H 2.77 0.05 1 197 . 29 CYS HB3 H 3.05 0.05 1 198 . 29 CYS N N 120.2 0.20 1 199 . 30 LYS H H 8.41 0.05 1 200 . 30 LYS HA H 4.01 0.05 1 201 . 30 LYS HB2 H 1.48 0.05 2 202 . 30 LYS HB3 H 1.68 0.05 2 203 . 30 LYS HG2 H 1.24 0.05 2 204 . 30 LYS HG3 H 1.35 0.05 2 205 . 30 LYS HD2 H 1.62 0.05 1 206 . 30 LYS HD3 H 1.62 0.05 1 207 . 30 LYS HE2 H 2.90 0.05 1 208 . 30 LYS HE3 H 2.90 0.05 1 209 . 30 LYS N N 123.3 0.20 1 210 . 31 ASN H H 8.36 0.05 1 211 . 31 ASN HA H 4.62 0.05 1 212 . 31 ASN HB2 H 2.52 0.05 2 213 . 31 ASN HB3 H 2.60 0.05 2 214 . 31 ASN HD22 H 6.72 0.05 1 215 . 31 ASN HD21 H 7.45 0.05 1 216 . 31 ASN N N 117.2 0.20 1 217 . 31 ASN ND2 N 111.9 0.05 1 218 . 32 THR H H 7.26 0.05 1 219 . 32 THR HA H 4.54 0.05 1 220 . 32 THR HB H 4.52 0.05 1 221 . 32 THR HG2 H 1.20 0.05 1 222 . 32 THR N N 107.9 0.20 1 223 . 33 ASP H H 8.96 0.05 1 224 . 33 ASP HA H 4.31 0.05 1 225 . 33 ASP HB2 H 2.64 0.05 2 226 . 33 ASP HB3 H 2.73 0.05 2 227 . 33 ASP N N 121.1 0.20 1 228 . 34 SER H H 8.44 0.05 1 229 . 34 SER HA H 4.11 0.05 1 230 . 34 SER HB2 H 3.89 0.05 1 231 . 34 SER HB3 H 3.89 0.05 1 232 . 34 SER N N 113.8 0.20 1 233 . 35 ARG H H 7.85 0.05 1 234 . 35 ARG HA H 4.12 0.05 1 235 . 35 ARG HB2 H 1.93 0.05 1 236 . 35 ARG HB3 H 1.93 0.05 1 237 . 35 ARG HG2 H 1.93 0.05 2 238 . 35 ARG HG3 H 1.70 0.05 2 239 . 35 ARG HD2 H 3.26 0.05 1 240 . 35 ARG HD3 H 3.26 0.05 1 241 . 35 ARG N N 122.4 0.20 1 242 . 36 CYS H H 7.87 0.05 1 243 . 36 CYS HA H 4.43 0.05 1 244 . 36 CYS HB2 H 2.71 0.05 1 245 . 36 CYS HB3 H 2.53 0.05 1 246 . 36 CYS N N 116.3 0.20 1 247 . 37 LYS H H 8.94 0.05 1 248 . 37 LYS HA H 4.26 0.05 1 249 . 37 LYS HB2 H 1.81 0.05 2 250 . 37 LYS HB3 H 1.93 0.05 2 251 . 37 LYS HE2 H 3.04 0.05 1 252 . 37 LYS HE3 H 3.04 0.05 1 253 . 37 LYS N N 123.5 0.20 1 254 . 38 ALA H H 7.70 0.05 1 255 . 38 ALA HA H 4.26 0.05 1 256 . 38 ALA HB H 1.52 0.05 1 257 . 38 ALA N N 122.7 0.20 1 258 . 39 ARG H H 7.41 0.05 1 259 . 39 ARG HA H 4.52 0.05 1 260 . 39 ARG HB2 H 2.13 0.05 1 261 . 39 ARG HB3 H 1.59 0.05 1 262 . 39 ARG HG2 H 1.68 0.05 1 263 . 39 ARG HG3 H 1.68 0.05 1 264 . 39 ARG HD2 H 3.16 0.05 2 265 . 39 ARG HD3 H 3.23 0.05 2 266 . 39 ARG N N 115.7 0.20 1 267 . 40 GLN H H 8.04 0.05 1 268 . 40 GLN HA H 3.91 0.05 1 269 . 40 GLN HB2 H 2.39 0.05 1 270 . 40 GLN HB3 H 2.25 0.05 1 271 . 40 GLN HG2 H 2.41 0.05 1 272 . 40 GLN HG3 H 2.41 0.05 1 273 . 40 GLN HE22 H 6.71 0.05 1 274 . 40 GLN HE21 H 7.51 0.05 1 275 . 40 GLN N N 113.0 0.20 1 276 . 40 GLN NE2 N 111.9 0.05 1 277 . 41 LEU H H 7.71 0.05 1 278 . 41 LEU HA H 4.70 0.05 1 279 . 41 LEU HB2 H 1.32 0.05 1 280 . 41 LEU HB3 H 1.41 0.05 1 281 . 41 LEU HG H 1.60 0.05 1 282 . 41 LEU HD1 H 0.70 0.05 1 283 . 41 LEU HD2 H 0.75 0.05 1 284 . 41 LEU N N 118.2 0.20 1 285 . 42 GLU H H 8.91 0.05 1 286 . 42 GLU HA H 4.69 0.05 1 287 . 42 GLU HB2 H 1.78 0.05 2 288 . 42 GLU HB3 H 1.86 0.05 2 289 . 42 GLU HG2 H 2.11 0.05 1 290 . 42 GLU HG3 H 2.11 0.05 1 291 . 42 GLU N N 118.0 0.20 1 292 . 43 LEU H H 9.16 0.05 1 293 . 43 LEU HA H 4.35 0.05 1 294 . 43 LEU HB2 H 1.00 0.05 1 295 . 43 LEU HB3 H 1.80 0.05 1 296 . 43 LEU HG H 1.08 0.05 1 297 . 43 LEU HD1 H 0.49 0.05 1 298 . 43 LEU HD2 H 0.75 0.05 1 299 . 43 LEU N N 126.4 0.20 1 300 . 44 ASN H H 8.74 0.05 1 301 . 44 ASN HA H 4.75 0.05 1 302 . 44 ASN HB2 H 2.67 0.05 1 303 . 44 ASN HB3 H 3.40 0.05 1 304 . 44 ASN HD22 H 6.99 0.05 1 305 . 44 ASN HD21 H 8.22 0.05 1 306 . 44 ASN N N 128.2 0.20 1 307 . 44 ASN ND2 N 115.1 0.05 1 308 . 45 GLU H H 9.09 0.05 1 309 . 45 GLU HA H 4.03 0.05 1 310 . 45 GLU HB2 H 2.00 0.05 2 311 . 45 GLU HB3 H 2.21 0.05 2 312 . 45 GLU HG2 H 2.26 0.05 2 313 . 45 GLU HG3 H 2.37 0.05 2 314 . 45 GLU N N 125.2 0.20 1 315 . 46 ARG H H 8.47 0.05 1 316 . 46 ARG HA H 4.45 0.05 1 317 . 46 ARG HB2 H 2.01 0.05 1 318 . 46 ARG HB3 H 2.01 0.05 1 319 . 46 ARG HG2 H 1.66 0.05 2 320 . 46 ARG HG3 H 1.76 0.05 2 321 . 46 ARG HD2 H 3.27 0.05 1 322 . 46 ARG HD3 H 3.27 0.05 1 323 . 46 ARG N N 116.5 0.20 1 324 . 47 THR H H 7.47 0.05 1 325 . 47 THR HA H 4.33 0.05 1 326 . 47 THR HB H 4.30 0.05 1 327 . 47 THR HG2 H 1.14 0.05 1 328 . 47 THR N N 106.9 0.20 1 329 . 48 CYS H H 8.50 0.05 1 330 . 48 CYS HA H 4.36 0.05 1 331 . 48 CYS HB2 H 2.68 0.05 1 332 . 48 CYS HB3 H 3.26 0.05 1 333 . 48 CYS N N 113.2 0.20 1 334 . 49 ARG H H 7.77 0.05 1 335 . 49 ARG HA H 4.48 0.05 1 336 . 49 ARG HB2 H 1.61 0.05 1 337 . 49 ARG HB3 H 1.82 0.05 1 338 . 49 ARG HG2 H 1.65 0.05 1 339 . 49 ARG HG3 H 1.65 0.05 1 340 . 49 ARG HD2 H 3.19 0.05 1 341 . 49 ARG HD3 H 3.19 0.05 1 342 . 49 ARG N N 119.0 0.20 1 343 . 50 CYS H H 8.58 0.05 1 344 . 50 CYS HA H 5.09 0.05 1 345 . 50 CYS HB2 H 2.68 0.05 1 346 . 50 CYS HB3 H 2.80 0.05 1 347 . 50 CYS N N 118.0 0.20 1 348 . 51 ASP H H 9.32 0.05 1 349 . 51 ASP HA H 4.95 0.05 1 350 . 51 ASP HB2 H 2.54 0.05 2 351 . 51 ASP HB3 H 2.80 0.05 2 352 . 51 ASP N N 126.6 0.20 1 353 . 52 LYS H H 8.66 0.05 1 354 . 52 LYS HA H 4.47 0.05 1 355 . 52 LYS HB2 H 1.67 0.05 2 356 . 52 LYS HB3 H 1.79 0.05 2 357 . 52 LYS HG2 H 1.51 0.05 2 358 . 52 LYS HG3 H 1.55 0.05 2 359 . 52 LYS HD2 H 1.73 0.05 1 360 . 52 LYS HD3 H 1.73 0.05 1 361 . 52 LYS HE2 H 3.02 0.05 1 362 . 52 LYS HE3 H 3.02 0.05 1 363 . 52 LYS N N 121.4 0.20 1 364 . 53 PRO HA H 4.33 0.05 1 365 . 53 PRO HB2 H 2.06 0.05 2 366 . 53 PRO HB3 H 2.21 0.05 2 367 . 53 PRO HG2 H 1.88 0.05 2 368 . 53 PRO HG3 H 2.08 0.05 2 369 . 53 PRO HD2 H 3.71 0.05 2 370 . 53 PRO HD3 H 3.98 0.05 2 371 . 54 ARG H H 8.53 0.05 1 372 . 54 ARG HA H 4.29 0.05 1 373 . 54 ARG HB2 H 1.77 0.05 2 374 . 54 ARG HB3 H 1.86 0.05 2 375 . 54 ARG HG2 H 1.69 0.05 1 376 . 54 ARG HG3 H 1.69 0.05 1 377 . 54 ARG HD2 H 3.21 0.05 1 378 . 54 ARG HD3 H 3.21 0.05 1 379 . 54 ARG N N 123.0 0.20 1 380 . 55 ARG H H 7.93 0.05 1 381 . 55 ARG HA H 4.18 0.05 1 382 . 55 ARG HB2 H 1.70 0.05 2 383 . 55 ARG HB3 H 1.83 0.05 2 384 . 55 ARG HG2 H 1.55 0.05 1 385 . 55 ARG HG3 H 1.55 0.05 1 386 . 55 ARG HD2 H 3.19 0.05 1 387 . 55 ARG HD3 H 3.19 0.05 1 388 . 55 ARG N N 127.4 0.20 1 stop_ save_